Integrasone

  • Formula: C14H20O5

  • Molecular weight: 268.30

  • Smiles: CCCCCCC1C2=C(C(C3C(C2O)O3)O)C(=O)O1

  • Type: Oxirenoisobenzofuran

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Integrasone

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Integrasone

  • First synonym: None

  • Synonyms: Integrasone,(+)-Integrasone,689278-00-0,R9G4GU9T62,UNII-R9G4GU9T62,(1aR,2R,5R,6R,6aS)-5-Hexyl-2,5,6,6a-tetrahydro-2,6-dihydroxyoxireno(f)isobenzofuran-3(1ah)-one,(1aR,2R,5R,6R,6aS)-5-hexyl-2,6-dihydroxy-2,5,6,6a-tetrahydro-1aH-oxireno[2,3-f][2]benzofuran-3-one,Oxireno(f)isobenzofuran-3(1ah)-one, 5-hexyl-2,5,6,6a-tetrahydro-2,6-dihydroxy-, (1aR,2R,5R,6R,6aS)-,Oxireno[f]isobenzofuran-3(1aH)-one, 5-hexyl-2,5,6,6a-tetrahydro-2,6-dihydroxy-, (1aR,2R,5R,6R,6aS)-,CHEMBL513386,SCHEMBL1684116,DTXSID60388376,CHEBI:201085,BDBM50478406,Q6042754,(1aR,2R,5R,6R,6aS)-5-hexyl-2,6-dihydroxy-2,5,6,6a-tetrahydro-1aH-oxireno[2,3-][2]benzouran-3-one,(1aR,2R,5R,6R,6aS)-5-hexyl-2,6-dihydroxy-2,5,6,6a-tetrahydro-1aH-oxireno[2,3-f]isobenzofuran-3-one

Identifiers / External links

Structure

  • Smiles: CCCCCCC1C2=C(C(C3C(C2O)O3)O)C(=O)O1

  • Isomeric smiles: CCCCCC[C@@H]1C2=C([C@H]([C@@H]3[C@H]([C@@H]2O)O3)O)C(=O)O1

  • Inchi: InChI=1S/C14H20O5/c1-2-3-4-5-6-7-8-9(14(17)18-7)11(16)13-12(19-13)10(8)15/h7,10-13,15-16H,2-6H2,1H3/t7-,10-,11-,12+,13-/m1/s1

  • Inchikey: OHAVJEXAZZCXML-KDRYVUTISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H20O5

  • Molecular weight: 268.30

  • Monoisotopic mass: 268.13107373

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